Compound Detail
CHEMBL198564
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL198564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGNPWVFAZVESPJ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
410.6
MW (Da)
6.52
ALogP
3
HBA
1
HBD
46.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 8.47 | 8.47 | 3.4 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.92 | 7.135 | 12.0 | 2 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 1.8 | nM | 8.74 | Inhibitory activity against PDE4B | 16168647 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 3.4 | nM | 8.47 | Inhibitory activity against PDE4A | 16168647 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 4.4 | nM | 8.36 | Inhibitory activity against PDE4D | 16168647 |
| Phosphodiesterase 4 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of LPS-induced TNFalpha production in human whole blood | 16168647 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 106.0 | nM | 6.97 | Inhibitory activity against PDE4C | 16168647 |
| Phosphodiesterase 4 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of LPS-induced TNFalpha production in squirrel monkey whole blood | 16168647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Phosphodiesterase 4 | 3 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Ovis aries | 2 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Cavia porcellus | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Mustela putorius furo | 1 |
| 16168647 | 10.1016/j.bmcl.2005.08.036 | Squirrel monkey | 1 |
Data from ChEMBL 36 via Core Engine